# generated using pymatgen
data_LiSO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77250668
_cell_length_b   5.77250668
_cell_length_c   5.30769549
_cell_angle_alpha   88.77908663
_cell_angle_beta   88.77908663
_cell_angle_gamma   83.51151217
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSO3F
_chemical_formula_sum   'Li2 S2 O6 F2'
_cell_volume   175.65757263
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.19288400  0.80711600  0.00000000  1
  Li  Li1  1  0.80711600  0.19288400  0.00000000  1
  S  S2  1  0.70806200  0.70806200  0.25557200  1
  S  S3  1  0.29193800  0.29193800  0.74442800  1
  O  O4  1  0.53443600  0.21432000  0.78931600  1
  O  O5  1  0.78568000  0.46556400  0.21068400  1
  O  O6  1  0.13062400  0.13062400  0.84162700  1
  O  O7  1  0.86937600  0.86937600  0.15837300  1
  O  O8  1  0.21432000  0.53443600  0.78931600  1
  O  O9  1  0.46556400  0.78568000  0.21068400  1
  F  F10  1  0.72845400  0.72845400  0.55423300  1
  F  F11  1  0.27154600  0.27154600  0.44576700  1
